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Ertapenem Impurity 15

SZ CAT No SZ-E049026
CAS No 1199797-42-6
Mol.F. C44H50N6O14S2
Mol.Wt. 951.0
Inv. Status Under Synthesis


Chemical Name: (4R,5S,6S)-3-(((3S,5S)-5-((3-((2S,3R)-5-carboxy-2-((1S,2R)-1-carboxy-2-hydroxypropyl)-4-(((3S,5S)-5-((3-carboxyphenyl)carbamoyl)pyrrolidin-3-yl)thio)-3-methyl-2,3-dihydro-1H-pyrrole-1-carbonyl)phenyl)carbamoyl)pyrrolidin-3-yl)thio)-6-((R)-1-hydroxyethyl)-4-methyl-7-oxo-1-azabicyclo[3.2.0]hept-2-ene-2-carboxylic acid

Smiles: O=C(C(N12)=C(S[C@@H]3CN[C@H](C(NC4=CC=CC(C(N5[C@@H]([C@H](C(O)=O)[C@H](O)C)[C@@H](C)C(S[C@@H]6CN[C@H](C(NC7=CC=CC(C(O)=O)=C7)=O)C6)=C5C(O)=O)=O)=C4)=O)C3)[C@H](C)[C@]2([H])[C@@H]([C@H](O)C)C1=O)O

Inchi: InChI=1S/2C44H50N6O14S2/c2*1-17-30(48-32(43(61)62)35(17)66-27-11-12-45-31(27)38(54)47-24-10-6-8-22(14-24)42(59)60)28(19(3)51)39(55)49-16-25(15-26(49)37(53)46-23-9-5-7-21(13-23)41(57)58)65-36-18(2)33-29(20(4)52)40(56)50(33)34(36)44(63)64/h5-10,13-14,17-20,25-31,33,45,48,51-52H,11-12,15-16H2,1-4H3,(H,46,53)(H,47,54)(H,57,58)(H,59,60)(H,61,62)(H,63,64);5-10,13-14,17-20,25-31,33,35,45,51-52H,11-12,15-16H2,1-4H3,(H,46,53)(H,47,54)(H,57,58)(H,59,60)(H,61,62)(H,63,64)/t17-,18-,19-,20-,25+,26+,27-,28-,29-,30-,31+,33-;17-,18-,19-,20-,25+,26+,27-,28-,29-,30-,31+,33-,35?/m11/s1